SCHEMBL19520577

SCHEMBL19520577

CCn1c(CCOC)nnc1SCC(=O)Nc1nnc(-c2ccc(OC(C)C)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.54
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ USP2 O75604 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19520407 0.91 SMN1; SMN2 (0.63) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520410 0.91 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520380 0.88 TSHR (0.63) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520379 0.88 TSHR (0.76) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL24021623 0.86 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520575 0.85 SMN1; SMN2 (0.57) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19538781 0.84 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520585 0.82 ALDH1A1 (0.68) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19520409 0.81 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19538759 0.80 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US claimed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US claimed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 TSHR 3510/4885SMN1; SMN2 4791/4885ALDH1A1 1917/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 TSHR 3510/4885SMN1; SMN2 4791/4885ALDH1A1 1917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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